Crystallography Open Database

Information card for entry 1556250

Preview

Coordinates	1556250.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	l206jrm_126b
Formula	C20 H21 N O2
Calculated formula	C20 H21 N O2
SMILES	Cn1c2ccccc2c2c1[C@@H]1[C@@H](C)[C@@H]3[C@@]2(C)C(=O)[C@@]1(C)CC3=O.Cn1c2ccccc2c2c1[C@H]1[C@H](C)[C@H]3[C@]2(C)C(=O)[C@]1(C)CC3=O
Title of publication	Synthesis of indole substituted twistenediones from a 2-quinonyl boronic acid.
Authors of publication	Rojas-Martín, Jaime; Veguillas, Marcos; Ribagorda, María; Carreño, M Carmen
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	22
Pages of publication	5686 - 5689
a	10.4429 ± 0.0003 Å
b	11.4676 ± 0.0003 Å
c	14.1151 ± 0.0004 Å
α	90°
β	107.314 ± 0.001°
γ	90°
Cell volume	1613.76 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
243596 (current)	2019-11-26	cif/ Adding structures of 1556250 via cif-deposit CGI script.	1556250.cif